SCHEMBL5653175

SCHEMBL5653175

CC1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2ccc(C#N)cn2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.45
GRM5 P41594 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDK1 Q15118 3/20 0.41
PDK2 Q15119 3/20 0.41
MMP8 P22894 2/20 0.39
MMP3 P08254 2/20 0.39
SCD5 Q86SK9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GHSR Q92847 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
KCNA5 P22460 1/20 0.38
SLC6A7 Q99884 1/20 0.38
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14366931 0.85 MMP8 (0.52) SMOMMP8MMP3ALDH1A1GHSR
SCHEMBL5652959 0.84 GSK3B (0.51) SMOMMP8MMP3ALDH1A1MMP1
SCHEMBL5653521 0.82 SLC6A7 (0.47) SMOMMP8MMP3ALDH1A1GHSR
SCHEMBL5652861 0.82 SMO (0.46) SMOMMP3GHSRMMP1MMP7
SCHEMBL5652538 0.81 SMO (0.45) SMOL3MBTL1MMP3GHSRMMP1
SCHEMBL5653667 0.81 GRM5 (0.46) SMOGRM5L3MBTL1MMP8MMP3
SCHEMBL5654387 0.81 SMO (0.41) SMOL3MBTL1MMP8MMP3ALDH1A1
SCHEMBL5654206 0.80 FASN (0.41) SMOMMP8MMP3ALDH1A1GHSR
SCHEMBL5653713 0.80 SMO (0.40) SMOMAPTL3MBTL1MMP3MMP1
SCHEMBL5654070 0.79 GRM5 (0.45) SMOGRM5L3MBTL1MMP8MMP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed
US-20070259879-A1 Piperazine and piperidine biaryl derivatives TRIMERIS, INC. 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070259879-A1 Piperazine and piperidine biaryl derivatives CYP3A5, CYP3A43, CCR5 SMO 3378/4885GRM5 749/4885MAPT 1269/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.